UCSF

ZINC32094164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.47 4.66 -12.81 3 5 0 92 270.317 1
Ref Reference (pH 7) 1.65 2.23 -13.57 3 5 0 95 270.317 1
Lo Low (pH 4.5-6) 1.65 3.33 -42.08 4 5 1 97 271.325 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )